Products for Research Use Only

NSC45586

CAT: 0013-GTR19166953-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166953-03Size:10 mg
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Description
NSC45586 is a selective small molecule inhibitor of the protein phosphatases PHLPP1 and PHLPP2. It is a valuable research tool for studying the Akt and PKC signaling pathways in cancer biology, utilized in both cellular and in vivo experimental models.
CAS Number
6300-44-3
Product Name Alternative
PP2C, PHLPP, PHLPP1, PHLPP2, Inhibitor, NSC 45586, inhibit, NSC-45586, NSC45586, pleckstrin homology domain and leucine-rich repeat protein phosphatase, AKT
Field of Research
Protein Biochemistry, Signal Transduction
Purity
95.09% (May vary between batches)
Solubility
Ethanol:Insoluble; H2O:Insoluble; DMSO:82 mg/mL (198.36 mM)
Smiles
CC1=CC (=C (C=C1N) N) N=NC2=CC=C (C=C2) N=NC3=CC (=C (C=C3) O) C (=O) O.[Na+]
Molecular Formula
C20H18N6NaO3+
Molecular Weight
413.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

NSC45586 sodium
CAS Number6300-44-3
PubChem CID137530162
IUPAC Namesodium 5-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-2-hydroxybenzoate
Molecular FormulaC20H17N6NaO3
Molecular Weight412.4
Topological Polar Surface Area162
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity613
SMILES
CC1=CC(=C(C=C1N)N)N=NC2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)[O-].[Na+]
InChI
InChI=1S/C20H18N6O3.Na/c1-11-8-18(17(22)10-16(11)21)26-24-13-4-2-12(3-5-13)23-25-14-6-7-19(27)15(9-14)20(28)29;/h2-10,27H,21-22H2,1H3,(H,28,29);/q;+1/p-1
InChIKey
XPYXCDXPWJROPD-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of NSC45586 sodium
CAS: 6300-44-3
CID: 137530162
Formula: C20H17N6NaO3
MW: 412.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight412.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass412.12598271
Monoisotopic Mass412.12598271
Topological Polar Surface Area162 Ų
Heavy Atom Count30
Formal Charge0
Complexity613
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes